SCHEMBL13311802

SCHEMBL13311802

CCOC(=O)/C=C/c1cccc(-c2cnc(Nc3ccc4c(c3)OCO4)nc2-n2nc(C(F)(F)F)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ULK1 O75385 4/20 0.40
JUN P05412 1/20 0.39
MAPK10 P53779 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
AXL P30530 1/20 0.38
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 4/20 0.37
SYK P43405 3/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3448740 0.91 ULK1 (0.43) ALDH1A1ALOX15HTTNPSR1ULK1
SCHEMBL3448745 0.91 ULK1 (0.43) ALDH1A1ALOX15HTTNPSR1ULK1
SCHEMBL13311800 0.90 ULK1 (0.40) ALDH1A1ALOX15HTTNPSR1ULK1
SCHEMBL13311754 0.88 SYK (0.41) ALDH1A1HTTSYKMAPK1MEN1
SCHEMBL13311748 0.88 SYK (0.43) HTTSYK
SCHEMBL13311798 0.87 SYK (0.38) TRPV1AXLDHODHSYK
SCHEMBL3448895 0.87 SYK (0.39) HTTSYKMAPTMAPK1CDK2
SCHEMBL13310990 0.87 SYK (0.38) KDM4ESYK
SCHEMBL3451322 0.86 SYK (0.41) SYK
SCHEMBL13421442 0.83 JUN (0.38) ALDH1A1ALOX15HTTNPSR1ULK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ALDH1A1 530/4885ALOX15 540/4885HTT 3861/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.